Description

3,5-Bis(trifluoromethyl)benzaldehyde (CAS No. 401-95-6) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₉H₄F₆O. This compound features two electron-withdrawing trifluoromethyl groups at the 3 and 5 positions of the benzaldehyde ring, enhancing its reactivity in electrophilic substitutions and cross-coupling reactions. Ideal for advanced organic synthesis, it serves as a key intermediate in pharmaceuticals, agrochemicals, and materials science. Available in >98% purity (GC), it is rigorously tested for consistency and stability under recommended storage conditions (2-8°C, inert atmosphere). Packaged in amber glass vials to prevent photodegradation, this product is a must-have for researchers developing fluorinated compounds or exploring novel catalytic pathways.

Properties

• CAS Number: 401-95-6
• Complexity: 234
• IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde
• InChI: InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H
• InChI Key: LDWLIXZSDPXYDR-UHFFFAOYSA-N
• Exact Mass: 242.01663372
• Molecular Formula: C9H4F6O
• Molecular Weight: 242.12
• SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O
• Topological: 17.1
• Monoisotopic Mass: 242.01663372
• Synonyms: 3,5-Bis(trifluoromethyl)benzaldehyde, 401-95-6, 3,5-di(Trifluoromethyl)benzaldehyde, LDWLIXZSDPXYDR-UHFFFAOYSA-, DTXSID80193141, DTXCID90115632, 628-052-5, inchi=1/c9h4f6o/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4h, ldwlixzsdpxydr-uhfffaoysa-n, MFCD00010206, 3,5-Bistrifluoromethylbenzaldehyde, 3,5-bis-trifluoromethyl-benzaldehyde, Benzaldehyde, 3,5-bis(trifluoromethyl)-, 3,5-(Trifluoromethyl)benzaldehyde; 3,5-Ditrifluoromethylbenzaldehyde, 3,5-bis-(Trifluoromethyl)benzaldehyde, SCHEMBL66819, SCHEMBL728390, CHEMBL5286407, BIS-(Trifluoromethyl)benzaldehyde, 3,5 bistrifluoromethyl benzaldehyde, 3,5-Bis-trifluoromethylbenzaldehyde, 3,5-Bistrifluoromethyl benzaldehyde, 3,5-di(trifiuoromethyl)benzaldehyde, 3,5-Di(Trifluoromethyl)benzaldhyde, 3,5-bis-trifluoromethyl benzaldehyde, CK2110, SBB006661, 3,5-bis(trifluoromethyl) benzaldehyde, 3,5-bis(trifluoromethyl)-benzaldehyde, 3,5-bis(trifluoromethyl)benz aldehyde, AKOS005063745, AB01024, AC-3824, CS-W007425, FB38259, PS-7563, 3,5-bis-(trifluoromethyl)-benzaldehyde, SY003246, [3,5-bis-trifluoromethyl-phenyl)-methanone, 3,5-Bis(trifluoromethyl)benzaldehyde, 97%, DB-021972, B1751, ST50307030, EN300-76113, F0001-1131, Z1187714399

Application

3,5-Bis(trifluoromethyl)benzaldehyde is widely used as a building block in the synthesis of pharmaceuticals, particularly for introducing trifluoromethyl groups into drug candidates to enhance metabolic stability and bioavailability. It is also employed in agrochemical research to create advanced pesticides and herbicides with improved efficacy. In materials science, this compound serves as a precursor for fluorinated polymers and liquid crystals, leveraging its electron-deficient aromatic core for tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98.5%)

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